CID 462135

6-[[(5,6-dichloro-2-naphthyl)amino]methyl]pteridine-2,4-diamine

Structural Information

Molecular Formula
C17H13Cl2N7
SMILES
C1=CC2=C(C=CC(=C2Cl)Cl)C=C1NCC3=CN=C4C(=N3)C(=NC(=N4)N)N
InChI
InChI=1S/C17H13Cl2N7/c18-12-4-1-8-5-9(2-3-11(8)13(12)19)22-6-10-7-23-16-14(24-10)15(20)25-17(21)26-16/h1-5,7,22H,6H2,(H4,20,21,23,25,26)
InChIKey
HKVWNWKYHFPSPW-UHFFFAOYSA-N
Compound name
6-[[(5,6-dichloronaphthalen-2-yl)amino]methyl]pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.06094 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.06822 186.7
[M+Na]+ 408.05016 199.6
[M-H]- 384.05366 189.2
[M+NH4]+ 403.09476 195.6
[M+K]+ 424.02410 190.1
[M+H-H2O]+ 368.05820 176.3
[M+HCOO]- 430.05914 197.4
[M+CH3COO]- 444.07479 195.7
[M+Na-2H]- 406.03561 194.8
[M]+ 385.06039 190.1
[M]- 385.06149 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.